4-[9-(4-tert-butylphenyl)-6-(3-nitrophenyl)-7-oxidanylidene-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[9-(4-tert-butylphenyl)-6-(3-nitrophenyl)-7-oxidanylidene-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[9-(4-tert-butylphenyl)-6-(3-nitrophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxo-butanoic acid CAS Name: 4-[9-(4-tert-butylphenyl)-6-(3-nitrophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid IUPAC Name: 4-[9-(4-tert-butylphenyl)-6-(3-nitrophenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid Traditional Name: 4-[9-(4-tert-butylphenyl)-7-keto-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-keto-butyric acid Formula: C33H33N3O6 MolecularWeight: 567.63162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C2

InChI

InChI=1S/C33H33N3O6/c1-33(2,3)23-13-11-20(12-14-23)22-18-26-31(28(37)19-22)32(21-7-6-8-24(17-21)36(41)42)35(29(38)15-16-30(39)40)27-10-5-4-9-25(27)34-26/h4-14,17,22,32,34H,15-16,18-19H2,1-3H3,(H,39,40)